CID 3038843

Thiazolidine, 3-(3-(butylthio)propyl)-, hydrochloride

Structural Information

Molecular Formula
C10H21NS2
SMILES
CCCCSCCCN1CCSC1
InChI
InChI=1S/C10H21NS2/c1-2-3-7-12-8-4-5-11-6-9-13-10-11/h2-10H2,1H3
InChIKey
SKBLXRQRJMRFNC-UHFFFAOYSA-N
Compound name
3-(3-butylsulfanylpropyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.11154 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.118816 148.8
[M+Na]+ 242.100758 154.7
[M-H]- 218.104264 150.0
[M+NH4]+ 237.145363 168.7
[M+K]+ 258.074698 151.4
[M+H-H2O]+ 202.108800 142.6
[M+HCOO]- 264.109741 158.9
[M+CH3COO]- 278.125391 186.7
[M+Na-2H]- 240.086206 146.3
[M]+ 219.11099142 150.8
[M]- 219.11208858 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.